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Aqua­(4-bromo­benzoato-κO)bis­(1,10-phenanthroline-κ(2) N,N′)zinc(II) 4-bromo­benzoate 1.5-hydrate

In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo­benzoate ligand and one water mol­ecule, completing a distorted ZnN(4)O(2) oc...

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Detalles Bibliográficos
Autores principales: Zhang, Bi-Song, Ye, Su-Fang, Li, Yun-Xia, Xu, Wei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009099/
https://www.ncbi.nlm.nih.gov/pubmed/21588801
http://dx.doi.org/10.1107/S160053681003864X
Descripción
Sumario:In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo­benzoate ligand and one water mol­ecule, completing a distorted ZnN(4)O(2) octa­hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter­planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π–π stacking inter­actions. The uncoordinated water mol­ecules are partly occupied. One carboxyl­ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds and π–π stacking inter­actions link the complex cations, uncoordinated 4-bromo­benzoate anions and water mol­ecules into a three-dimensional supra­molecular network. An intra­molecular O—H⋯·O hydrogen bond is observed in the cation.